input word = C00005949

Metabolite InformationStructural formula
Name Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Formula C28H24O14
Mw 584.11660548
CAS RN 72672-58-3
C_ID C00005949 ,
InChIKey ODOAOGXWFNLKLU-ABUXVJLSNA-N
InChICode InChI=1S/C28H24O14/c29-13-4-1-11(2-5-13)27(38)39-10-19-21(34)23(36)24(37)28(41-19)42-26-22(35)20-17(33)8-14(30)9-18(20)40-25(26)12-3-6-15(31)16(32)7-12/h1-9,19,21,23-24,28-34,36-37H,10H2/t19-,21+,23-,24+,28+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)COC(=O)c1ccc(cc1)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeErica cinerea Ref.
PlantaeEricaceaeLedum palustre Ref.
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